PubChemLite - Chembl198276 (C24H23F4NO5)

Structural Information

Molecular Formula

SMILES

CC1=CC(=CC(=C1OC)C(=O)OC)/C(=C\CCN2CCOC2=O)/C3=CC(=CC(=C3)F)C(F)(F)F

InChI

InChI=1S/C24H23F4NO5/c1-14-9-15(12-20(21(14)32-2)22(30)33-3)19(5-4-6-29-7-8-34-23(29)31)16-10-17(24(26,27)28)13-18(25)11-16/h5,9-13H,4,6-8H2,1-3H3/b19-5+

InChIKey

WYIJBRAVLZYNKO-PTXOJBNSSA-N

Compound name

methyl 5-[(E)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)but-1-enyl]-2-methoxy-3-methylbenzoate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	482.15853	212.1
[M+Na]+	504.14047	219.5
[M-H]-	480.14397	216.3
[M+NH4]+	499.18507	218.9
[M+K]+	520.11441	215.5
[M+H-H2O]+	464.14851	200.0
[M+HCOO]-	526.14945	223.7
[M+CH3COO]-	540.16510	237.1
[M+Na-2H]-	502.12592	206.1
[M]+	481.15070	212.2
[M]-	481.15180	212.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

482.15853

212.1

[M+Na]+

504.14047

219.5

[M-H]-

480.14397

216.3

[M+NH4]+

499.18507

218.9

[M+K]+

520.11441

215.5

[M+H-H2O]+

464.14851

200.0

[M+HCOO]-

526.14945

223.7

[M+CH3COO]-

540.16510

237.1

[M+Na-2H]-

502.12592

206.1

[M]+

481.15070

212.2

[M]-

481.15180

212.2

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Chembl198276

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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